3-[2-(naphthalen-1-ylmethylcarbamoyl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(naphthalen-1-ylmethylcarbamoyl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(1-naphthylmethylcarbamoyl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[(1-naphthalenylmethylamino)-oxomethyl]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(naphthalen-1-ylmethylcarbamoyl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(1-naphthylmethylcarbamoyl)-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNC(=O)C3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNC(=O)C3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C25H23N3O3/c29-24(30)12-11-20-10-9-18(17-28-14-4-13-27-28)15-23(20)25(31)26-16-21-7-3-6-19-5-1-2-8-22(19)21/h1-10,13-15H,11-12,16-17H2,(H,26,31)(H,29,30)